N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide

C11H15FN2O2 — CID 107012883

IUPACN-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide
SMILESCC(CN)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H15FN2O2/c1-7(5-13)6-14-11(16)10-8(12)3-2-4-9(10)15/h2-4,7,15H,5-6,13H2,1H3,(H,14,16)
InChIKeyQQGKDBRQUSJPRA-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.86
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide

N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide (PubChem CID 107012883) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide
PubChem CID107012883
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide
SMILESCC(CN)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H15FN2O2/c1-7(5-13)6-14-11(16)10-8(12)3-2-4-9(10)15/h2-4,7,15H,5-6,13H2,1H3,(H,14,16)
InChIKeyQQGKDBRQUSJPRA-UHFFFAOYSA-N
XLogP0.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide
CID 107016840
2-fluoro-6-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107015409
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965
2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 104917625
N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107015862
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107017120
2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 104920523
N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide
CID 107016983
N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide
CID 62666475

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide (CID 107012883) is N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide is CC(CN)CNC(=O)c1c(O)cccc1F.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is QQGKDBRQUSJPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(5-13)6-14-11(16)10-8(12)3-2-4-9(10)15/h2-4,7,15H,5-6,13H2,1H3,(H,14,16).
What are the key properties of N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide?
N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 226.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107012883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).